N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide

C20H21N3O3 — CID 988997

IUPACN-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(C)nn(-c3ccccc3)c2NC(C)=O)cc1OC
InChIInChI=1S/C20H21N3O3/c1-13-19(15-10-11-17(25-3)18(12-15)26-4)20(21-14(2)24)23(22-13)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,21,24)
InChIKeyMXHMPFUSPGDIST-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.82
Rot. Bonds5

About N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide

N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide (PubChem CID 988997) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide
PubChem CID988997
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(C)nn(-c3ccccc3)c2NC(C)=O)cc1OC
InChIInChI=1S/C20H21N3O3/c1-13-19(15-10-11-17(25-3)18(12-15)26-4)20(21-14(2)24)23(22-13)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,21,24)
InChIKeyMXHMPFUSPGDIST-UHFFFAOYSA-N
XLogP3.82
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-tert-butyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 135417938
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2353715
3-methyl-1-phenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
CID 2941423
4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
CID 2941888
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3797260
Indan-2-carboxylic acid [5-(3,4-dimethoxy-phenyl)-1H-pyrazol-3-yl]-amide
CID 11002986
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
4-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 767167
1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-[3-(4-Methoxy-2-Methylphenyl)-1h-Pyrazol-5-Yl]urea
CID 70678491
1H-Pyrazol-5-amine, 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-
CID 680669

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide (CID 988997) is N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide is COc1ccc(-c2c(C)nn(-c3ccccc3)c2NC(C)=O)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide?
The InChIKey is MXHMPFUSPGDIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-19(15-10-11-17(25-3)18(12-15)26-4)20(21-14(2)24)23(22-13)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,21,24).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide?
N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 988997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).